(propan-2-ylideneamino)oxymethylurea

C5H11N3O2 — CID 55291563

IUPAC(propan-2-ylideneamino)oxymethylurea
SMILESCC(C)=NOCNC(N)=O
InChIInChI=1S/C5H11N3O2/c1-4(2)8-10-3-7-5(6)9/h3H2,1-2H3,(H3,6,7,9)
InChIKeyWEYXKRDTGNVJOR-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.02
Rot. Bonds3

About (propan-2-ylideneamino)oxymethylurea

(propan-2-ylideneamino)oxymethylurea (PubChem CID 55291563) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is (propan-2-ylideneamino)oxymethylurea.

Molecular Properties

Compound Name(propan-2-ylideneamino)oxymethylurea
PubChem CID55291563
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name(propan-2-ylideneamino)oxymethylurea
SMILESCC(C)=NOCNC(N)=O
InChIInChI=1S/C5H11N3O2/c1-4(2)8-10-3-7-5(6)9/h3H2,1-2H3,(H3,6,7,9)
InChIKeyWEYXKRDTGNVJOR-UHFFFAOYSA-N
XLogP0.02
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino)oxymethylurea?
The IUPAC name of (propan-2-ylideneamino)oxymethylurea (CID 55291563) is (propan-2-ylideneamino)oxymethylurea.
What is the SMILES notation for (propan-2-ylideneamino)oxymethylurea?
The canonical SMILES for (propan-2-ylideneamino)oxymethylurea is CC(C)=NOCNC(N)=O.
What is the InChIKey of (propan-2-ylideneamino)oxymethylurea?
The InChIKey is WEYXKRDTGNVJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-4(2)8-10-3-7-5(6)9/h3H2,1-2H3,(H3,6,7,9).
What are the key properties of (propan-2-ylideneamino)oxymethylurea?
(propan-2-ylideneamino)oxymethylurea has a molecular weight of 145.16 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino)oxymethylurea is sourced from PubChem (CID 55291563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).